SCHEMBL13527140

SCHEMBL13527140

COc1ccc2nccc(N3CCC(N(CCN)C(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 2/20 0.48
PDE10A Q9Y233 2/20 0.40
PIK3CA P42336 2/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 4/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MAP4K4 O95819 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
SLC2A1 P11166 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3162808 0.89 CYP8B1 (0.49) CYP8B1PIK3CACYP2C19KCNH2PIK3CD
SCHEMBL14441588 0.89 CYP8B1 (0.46) CYP8B1PDE10APIK3CACYP2C19KCNH2
SCHEMBL13527137 0.87 CYP8B1 (0.47) CYP8B1PDE10APIK3CACYP2C19KCNH2
SCHEMBL3162840 0.79 CYP8B1 (0.47) CYP8B1PDE10APIK3CACYP2C19KCNH2
SCHEMBL3177584 0.78 MAP4K4 (0.52) CYP8B1PDE10APIK3CACYP2C19KCNH2
SCHEMBL5905803 0.77 CYP8B1 (0.50) CYP8B1PIK3CACYP2C19KCNH2PIK3CD
SCHEMBL3168285 0.76 CYP8B1 (0.49) CYP8B1PIK3CACYP2C19KCNH2SLC2A1
SCHEMBL3259299 0.76 CYP8B1 (0.47) CYP8B1PDE10APIK3CACYP2C19KCNH2
SCHEMBL1224773 0.76 MAP4K4 (0.51) CYP8B1PDE10AKCNH2MAP4K4
SCHEMBL1224777 0.76 MAP4K4 (0.51) CYP8B1PDE10AKCNH2MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203127-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 CYP8B1 965/4885PDE10A 4166/4885PIK3CA 3189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.